{
  "abstract": "Hydrogen storage remains a central bottleneck for scalable hydrogen energy systems due to the multiscale and coupled nature of the thermodynamics, kinetics, and microstructural evolution of hydrogen storage materials (HSMs). Although artificial intelligence (AI) has accelerated materials discovery, current approaches remain constrained by fragmented data, limited physical consistency, and weak integration with experimental validation. Here, we propose a unified framework that integrates coherent data infrastructure, physics-grounded modeling, and AI-driven inverse design within a closed-loop discovery paradigm. By constraining optimization with thermodynamics, kinetics, uncertainty, provenance, and experimental feedback, this approach enables adaptive, physically consistent optimization, thereby establishing a pathway toward autonomous, digital-twin-enabled discovery of HSMs.",
  "abstract_shown": true,
  "affiliations": [
    "Tohoku University , , ,",
    "National University of Singapore , , ,",
    "University at Buffalo , , , ,",
    "The University of Tokyo , , ,",
    "Washington University in St. Louis , , , ,",
    "Utrecht University , , ,",
    "University of Turin , , ,",
    "Chemical Energy Carriers and Vehicle Systems Laboratory , , ,",
    "Hiden Isochema Ltd , ,",
    "Zhejiang University , , ,",
    "Institute of High Performance Computing, Agency for Science, Technology and Research , ,",
    "Chinese Academy of Sciences , , ,",
    "Korea Advanced Institute of Science and Technology (KAIST) , , ,",
    "Institute for Energy Technology (IFE) , , ,",
    "Chongqing University , , ,",
    "University of Nottingham , , ,",
    "Max-Planck-Institut für Kohlenforschung , ,",
    "UCLouvain , , ,",
    "University of Crete , , Voutes Campus , ,",
    "Zhejiang University , , , ,",
    "Colorado School of Mines , , ,",
    "City University of Hong Kong , , Kowloon , , ,",
    "The University of Osaka , , 2-1 Yamadaoka , , ,",
    "University of Toronto/CanmetMATERIALS , , , ,",
    "Max Planck Institute for Solid State Research , ,",
    "Aarhus University , , ,",
    "RMIT University , , , ,",
    "Pohang University of Science and Technology (POSTECH) , , ,",
    "Department of Materials Science, Institute of Pure and Applied Sciences, University of Tsukuba , ,",
    "University of Tsukuba , , ,",
    "Nagoya University , , ,",
    "University of Sydney , , , ,",
    "Gusu Laboratory of Materials , , ,",
    "Suzhou MatSource Technology Co. Ltd. , , ,",
    "University of Adelaide , , , ,",
    "Toyota Research Institute of North America (TRI-NA) , , ,",
    "Ulsan National Institute of Science and Technology (UNIST) , , ,",
    "Curtin University , , , ,",
    "University of Cambridge , , ,",
    "Karlsruhe Institute of Technology (KIT) , , ,"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 69,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Seong‐Hoon Jang",
      "orcid": "0000-0001-6026-636X"
    },
    {
      "affs": [
        1
      ],
      "name": "Yiwen Yao",
      "orcid": "0009-0007-1780-2789"
    },
    {
      "affs": [
        2
      ],
      "name": "Chuanyu Liu"
    },
    {
      "affs": [
        0
      ],
      "name": "Linda Zhang"
    },
    {
      "affs": [
        0
      ],
      "name": "Di Zhang",
      "orcid": "0000-0001-6347-9344"
    },
    {
      "affs": [
        0
      ],
      "name": "Xue Jia"
    },
    {
      "affs": [
        0
      ],
      "name": "Hung Ba Tran",
      "orcid": "0000-0001-5508-3956"
    },
    {
      "affs": [
        0
      ],
      "name": "Eric Jianfeng Cheng",
      "orcid": "0000-0003-0904-802X"
    },
    {
      "affs": [
        3
      ],
      "name": "Ryuhei Sato",
      "orcid": "0000-0002-5503-0982"
    },
    {
      "affs": [
        0
      ],
      "name": "Yusuke Ohashi",
      "orcid": "0009-0003-1404-2471"
    },
    {
      "affs": [
        0
      ],
      "name": "Toyoto Sato",
      "orcid": "0000-0002-0527-1235"
    },
    {
      "affs": [
        0
      ],
      "name": "Yusuke Hashimoto",
      "orcid": "0000-0002-1886-9332"
    },
    {
      "affs": [
        4
      ],
      "name": "Mark D. Allendorf",
      "orcid": "0000-0001-5645-8246"
    },
    {
      "affs": [
        5
      ],
      "name": "Nongnuch Artrith",
      "orcid": "0000-0003-1153-6583"
    },
    {
      "affs": [
        6
      ],
      "name": "Marcello Baricco",
      "orcid": "0000-0002-2856-9894"
    },
    {
      "affs": [
        7,
        0
      ],
      "name": "Andreas Borgschulte",
      "orcid": "0000-0001-6250-4667"
    },
    {
      "affs": [
        8
      ],
      "name": "Darren P. Broom",
      "orcid": "0000-0002-1328-7376"
    },
    {
      "affs": [
        9
      ],
      "name": "Ang Cao",
      "orcid": "0000-0003-3787-6949"
    },
    {
      "affs": [
        10
      ],
      "name": "Benjamin W. J. Chen",
      "orcid": "0000-0003-3695-727X"
    },
    {
      "affs": [
        9
      ],
      "name": "Lixin Chen",
      "orcid": "0000-0002-9624-918X"
    },
    {
      "affs": [
        11
      ],
      "name": "Ping Chen",
      "orcid": "0000-0002-0625-0639"
    },
    {
      "affs": [
        12
      ],
      "name": "Eun Seon Cho",
      "orcid": "0000-0001-9428-1269"
    },
    {
      "affs": [
        13
      ],
      "name": "Stefano Deledda",
      "orcid": "0000-0002-4694-1012"
    },
    {
      "affs": [
        14
      ],
      "name": "Zhu Ding",
      "orcid": "0000-0003-1794-0392"
    },
    {
      "affs": [
        15
      ],
      "name": "Martin Dornheim",
      "orcid": "0000-0001-8491-435X"
    },
    {
      "affs": [
        16
      ],
      "name": "Michael Felderhoff",
      "orcid": "0000-0001-9526-3943"
    },
    {
      "affs": [
        17
      ],
      "name": "Yaroslav E. Filinchuk",
      "orcid": "0000-0002-6146-3696"
    },
    {
      "affs": [
        18
      ],
      "name": "George E. Froudakis",
      "orcid": "0000-0002-6907-1822"
    },
    {
      "affs": [
        19
      ],
      "name": "Mingxia Gao",
      "orcid": "0000-0002-4719-6747"
    },
    {
      "affs": [
        20
      ],
      "name": "Thomas Gennett",
      "orcid": "0000-0003-1259-6588"
    },
    {
      "affs": [
        21
      ],
      "name": "Zaiping Guo",
      "orcid": "0000-0003-3464-5301"
    },
    {
      "affs": [
        22
      ],
      "name": "Ikutaro Hamada",
      "orcid": "0000-0001-5112-2452"
    },
    {
      "affs": [
        23
      ],
      "name": "Jason R. Hattrick-Simpers",
      "orcid": "0000-0003-2937-3188"
    },
    {
      "affs": [
        13
      ],
      "name": "Bjørn C. Hauback",
      "orcid": "0000-0002-2717-6941"
    },
    {
      "affs": [
        24,
        0
      ],
      "name": "Michael Hirscher",
      "orcid": "0000-0002-3143-2119"
    },
    {
      "affs": [
        25
      ],
      "name": "Torben R. Jensen",
      "orcid": "0000-0002-4278-3221"
    },
    {
      "affs": [
        26
      ],
      "name": "Baohua Jia",
      "orcid": "0000-0002-6703-477X"
    },
    {
      "affs": [
        27
      ],
      "name": "Hyoung Seop Kim",
      "orcid": "0000-0002-3155-583X"
    },
    {
      "affs": [
        28,
        0,
        29
      ],
      "name": "Takahiro Kondo",
      "orcid": "0000-0001-8457-9387"
    },
    {
      "affs": [
        30
      ],
      "name": "Kentaro Kutsukake",
      "orcid": "0000-0001-7878-347X"
    },
    {
      "affs": [
        1
      ],
      "name": "Xiao-Yan Li"
    },
    {
      "affs": [
        31
      ],
      "name": "Tongliang Liu",
      "orcid": "0000-0002-9640-6472"
    },
    {
      "affs": [
        32,
        33
      ],
      "name": "Piao Ma",
      "orcid": "0000-0002-4357-187X"
    },
    {
      "affs": [
        34
      ],
      "name": "Jianfeng Mao",
      "orcid": "0000-0002-4787-4261"
    },
    {
      "affs": [
        35
      ],
      "name": "Rana Mohtadi",
      "orcid": "0000-0002-1203-3809"
    },
    {
      "affs": [
        36
      ],
      "name": "Hyunchul Oh",
      "orcid": "0000-0001-6258-0002"
    },
    {
      "affs": [
        37
      ],
      "name": "Mark Paskevicius",
      "orcid": "0000-0003-2677-3434"
    },
    {
      "affs": [
        0,
        38
      ],
      "name": "Chris J. Pickard",
      "orcid": "0000-0002-9684-5432"
    },
    {
      "affs": [
        39
      ],
      "name": "Astrid Pundt",
      "orcid": "0000-0002-6665-6745"
    },
    {
      "name": "Anibal Javier Ramirez-Cuesta",
      "orcid": "0000-0003-1231-0068"
    },
    {
      "name": "Hiroyuki Saitoh",
      "orcid": "0000-0002-2146-5152"
    },
    {
      "name": "Kaihang Shi",
      "orcid": "0000-0002-0297-1746"
    },
    {
      "name": "Aloysius Soon",
      "orcid": "0000-0002-6273-9324"
    },
    {
      "name": "Chenghua Sun",
      "orcid": "0000-0001-7654-669X"
    },
    {
      "name": "Chris M. Wolverton",
      "orcid": "0000-0003-2248-474X"
    },
    {
      "affs": [
        0
      ],
      "name": "Hiroshi Yabu",
      "orcid": "0000-0002-1943-6790"
    },
    {
      "name": "Weijie Yang",
      "orcid": "0000-0002-0232-1129"
    },
    {
      "name": "Zhenpeng Yao",
      "orcid": "0000-0001-8286-8257"
    },
    {
      "name": "Xuebin Yu",
      "orcid": "0000-0002-4035-0991"
    },
    {
      "name": "Jianxin Zou",
      "orcid": "0000-0003-1041-121X"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/88ty1m2551zc1.bib",
  "cited_by": 6,
  "doi": "10.1021/acsenergylett.6c01856",
  "fulltext_url": null,
  "id": "88ty1m2551zc1",
  "issns": [
    "2380-8195"
  ],
  "landing_url": "https://doi.org/10.1021/acsenergylett.6c01856",
  "language": "en",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2505|Machine Learning in Materials Science"
    ]
  ],
  "openalex": "W7160373606",
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-08-14",
  "publisher": "American Chemical Society",
  "ris": "https://research.draconitic.com/paper/88ty1m2551zc1.ris",
  "sources": [
    {
      "first_seen": "2026-11-07T13:21:07Z",
      "native_id": "W7160373606",
      "source": "openalex",
      "url": "https://doi.org/10.1021/acsenergylett.6c01856"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2505|Machine Learning in Materials Science",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Building a Physics-Aware AI Ecosystem for Solid-State Hydrogen Storage Materials",
  "title_text": "Building a Physics-Aware AI Ecosystem for Solid-State Hydrogen Storage Materials",
  "type": "peer-reviewed",
  "updated_at": "2026-11-09T13:21:23Z",
  "url": "https://research.draconitic.com/paper/88ty1m2551zc1",
  "venue": "ACS Energy Letters",
  "versions": []
}